tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate

C16H21N3O4S — CID 11631678

IUPACtert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cnc(NC(=O)C(Cc2ccco2)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H21N3O4S/c1-10-9-17-14(24-10)19-13(20)12(8-11-6-5-7-22-11)18-15(21)23-16(2,3)4/h5-7,9,12H,8H2,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyBVDWAVZJZRKVHF-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 11631678) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID11631678
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Nametert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCc1cnc(NC(=O)C(Cc2ccco2)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H21N3O4S/c1-10-9-17-14(24-10)19-13(20)12(8-11-6-5-7-22-11)18-15(21)23-16(2,3)4/h5-7,9,12H,8H2,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyBVDWAVZJZRKVHF-UHFFFAOYSA-N
XLogP3.12
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(1,3-benzothiazol-2-ylamino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
CID 11552803
tert-butyl N-[1-[(4-chloro-1,3-benzothiazol-2-yl)amino]-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
CID 11611527
tert-butyl N-[1-(2,6-diethylanilino)-3-(furan-2-yl)-1-oxopropan-2-yl]carbamate
CID 11523892
(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 90832447
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(pyrimidin-2-ylamino)propan-2-yl]carbamate
CID 110677846
tert-butyl N-[1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-4-(tritylamino)butan-2-yl]carbamate
CID 87899893
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
CID 55560299
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
tert-butyl N-[4-(furan-2-yl)butan-2-ylamino]carbamate
CID 107237322
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxohexan-3-yl]carbamate
CID 15287861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 11631678) is tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate is Cc1cnc(NC(=O)C(Cc2ccco2)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is BVDWAVZJZRKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10-9-17-14(24-10)19-13(20)12(8-11-6-5-7-22-11)18-15(21)23-16(2,3)4/h5-7,9,12H,8H2,1-4H3,(H,18,21)(H,17,19,20).
What are the key properties of tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 351.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(furan-2-yl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11631678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).