2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide

C11H17N3OS2 — CID 113487603

IUPAC2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCSCC1
InChIInChI=1S/C11H17N3OS2/c1-7-9(17-11(12)14-7)10(15)13-6-8-2-4-16-5-3-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyMWCIXYHHPPNMFM-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 113487603) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID113487603
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCC1CCSCC1
InChIInChI=1S/C11H17N3OS2/c1-7-9(17-11(12)14-7)10(15)13-6-8-2-4-16-5-3-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyMWCIXYHHPPNMFM-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 113487603) is 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCC1CCSCC1.
What is the InChIKey of 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MWCIXYHHPPNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-7-9(17-11(12)14-7)10(15)13-6-8-2-4-16-5-3-8/h8H,2-6H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113487603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).