ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate

C16H19N5O3S — CID 90510175

IUPACethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2csc(Nc3cccnc3)n2)CC1
InChIInChI=1S/C16H19N5O3S/c1-2-24-16(23)21-8-6-20(7-9-21)14(22)13-11-25-15(19-13)18-12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)
InChIKeyLHWNSQUUQGVHDE-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.20
Rot. Bonds4

About ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate (PubChem CID 90510175) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
PubChem CID90510175
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Nameethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2csc(Nc3cccnc3)n2)CC1
InChIInChI=1S/C16H19N5O3S/c1-2-24-16(23)21-8-6-20(7-9-21)14(22)13-11-25-15(19-13)18-12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3,(H,18,19)
InChIKeyLHWNSQUUQGVHDE-UHFFFAOYSA-N
XLogP2.20
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510328
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179
4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90510333
[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90510362
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510150
ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 131696575
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate (CID 90510175) is ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2csc(Nc3cccnc3)n2)CC1.
What is the InChIKey of ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is LHWNSQUUQGVHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-24-16(23)21-8-6-20(7-9-21)14(22)13-11-25-15(19-13)18-12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 361.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 90510175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).