tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate

C17H24N2O2S2 — CID 71846851

IUPACtert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate
SMILESCc1cc(-c2csc(C(C)(C)NC(=O)OC(C)(C)C)n2)c(C)s1
InChIInChI=1S/C17H24N2O2S2/c1-10-8-12(11(2)23-10)13-9-22-14(18-13)17(6,7)19-15(20)21-16(3,4)5/h8-9H,1-7H3,(H,19,20)
InChIKeyIQBSSHJVANGRQG-UHFFFAOYSA-N
MW352.53 g/mol
LogP5.25
Rot. Bonds3

About tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate

tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate (PubChem CID 71846851) has the molecular formula C17H24N2O2S2 and a molecular weight of 352.53 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate
PubChem CID71846851
Molecular FormulaC17H24N2O2S2
Molecular Weight352.53 g/mol
Exact Mass352.13
IUPAC Nametert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate
SMILESCc1cc(-c2csc(C(C)(C)NC(=O)OC(C)(C)C)n2)c(C)s1
InChIInChI=1S/C17H24N2O2S2/c1-10-8-12(11(2)23-10)13-9-22-14(18-13)17(6,7)19-15(20)21-16(3,4)5/h8-9H,1-7H3,(H,19,20)
InChIKeyIQBSSHJVANGRQG-UHFFFAOYSA-N
XLogP5.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
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tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
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CID 24590822
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
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tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]propanamide
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tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate (CID 71846851) is tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate is Cc1cc(-c2csc(C(C)(C)NC(=O)OC(C)(C)C)n2)c(C)s1.
What is the InChIKey of tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate?
The InChIKey is IQBSSHJVANGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S2/c1-10-8-12(11(2)23-10)13-9-22-14(18-13)17(6,7)19-15(20)21-16(3,4)5/h8-9H,1-7H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate has a molecular weight of 352.53 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 71846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).