tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate

C24H28N6O3S — CID 174967260

IUPACtert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1nc(N2CCNCC2)cs1
InChIInChI=1S/C24H28N6O3S/c1-24(2,3)33-23(32)28-18-5-4-17(16-6-8-25-9-7-16)14-19(18)27-21(31)22-29-20(15-34-22)30-12-10-26-11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyVRXFKMSYHWVAHN-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate

tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate (PubChem CID 174967260) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate
PubChem CID174967260
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Nametert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1nc(N2CCNCC2)cs1
InChIInChI=1S/C24H28N6O3S/c1-24(2,3)33-23(32)28-18-5-4-17(16-6-8-25-9-7-16)14-19(18)27-21(31)22-29-20(15-34-22)30-12-10-26-11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyVRXFKMSYHWVAHN-UHFFFAOYSA-N
XLogP4.21
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]-1,3-thiazol-4-yl]piperazine-1-carboxylate
CID 134558793
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-1,3-thiazol-4-yl]piperazine-1-carboxylate
CID 157358895
tert-butyl 4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]-(3-pyridin-4-ylphenyl)carbamoyl]-1,3-thiazol-4-yl]piperazine-1-carboxylate
CID 134519032
tert-butyl 4-methyl-4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]carbamoyl]anilino]piperidine-1-carboxylate
CID 121346319
tert-butyl 4-[2-[[5-(furan-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamoyl]-1,3-thiazol-4-yl]piperazine-1-carboxylate
CID 146231977
lithium;N-[2-amino-5-(furan-3-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide;tert-butyl N-[2-amino-4-(furan-3-yl)phenyl]carbamate;tert-butyl 4-[2-[[5-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4-methyl-1,3-thiazol-5-yl]piperazine-1-carboxylate;4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate
CID 158470964
tert-butyl N-[4-(furan-3-yl)-2-[[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate
CID 134518981
tert-butyl N-[2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate
CID 159344285
tert-butyl N-[2-[(4-methylsulfanylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 170184561
tert-butyl N-[4-(4-fluorophenyl)-2-(methylamino)phenyl]carbamate
CID 147462087
N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 134535398

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate (CID 174967260) is tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccncc2)cc1NC(=O)c1nc(N2CCNCC2)cs1.
What is the InChIKey of tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate?
The InChIKey is VRXFKMSYHWVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-24(2,3)33-23(32)28-18-5-4-17(16-6-8-25-9-7-16)14-19(18)27-21(31)22-29-20(15-34-22)30-12-10-26-11-13-30/h4-9,14-15,26H,10-13H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate?
tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate has a molecular weight of 480.59 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate is sourced from PubChem (CID 174967260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).