4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate

C15H16N4O2S2 — CID 157237511

IUPAC4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(N)n1.Cc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C11H10N2O2S.C4H6N2S/c1-8-7-16-10(12-8)13-11(14)15-9-5-3-2-4-6-9;1-3-2-7-4(5)6-3/h2-7H,1H3,(H,12,13,14);2H,1H3,(H2,5,6)
InChIKeyAUUUMRSJAPHTHX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds2

About 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate

4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 157237511) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID157237511
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(N)n1.Cc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C11H10N2O2S.C4H6N2S/c1-8-7-16-10(12-8)13-11(14)15-9-5-3-2-4-6-9;1-3-2-7-4(5)6-3/h2-7H,1H3,(H,12,13,14);2H,1H3,(H2,5,6)
InChIKeyAUUUMRSJAPHTHX-UHFFFAOYSA-N
XLogP4.10
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-phenoxybenzamide;N,N-dimethylmethanamine
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2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 157237511) is 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(N)n1.Cc1csc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is AUUUMRSJAPHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.C4H6N2S/c1-8-7-16-10(12-8)13-11(14)15-9-5-3-2-4-6-9;1-3-2-7-4(5)6-3/h2-7H,1H3,(H,12,13,14);2H,1H3,(H2,5,6).
What are the key properties of 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 348.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 157237511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).