N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C11H17N3OS — CID 38653486

IUPACN-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3OS/c1-7-9(11(12-2)16-14-7)10(15)13-6-8-4-3-5-8/h8,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyBRRIUNWALRGDFI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.02
Rot. Bonds4

About N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 38653486) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID38653486
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3OS/c1-7-9(11(12-2)16-14-7)10(15)13-6-8-4-3-5-8/h8,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyBRRIUNWALRGDFI-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 38653486) is N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is BRRIUNWALRGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-9(11(12-2)16-14-7)10(15)13-6-8-4-3-5-8/h8,12H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 38653486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).