N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide

C11H12N4OS2 — CID 95749634

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C11H12N4OS2/c1-6-9(18-15-14-6)10(16)12-4-8-5-17-11(13-8)7-2-3-7/h5,7H,2-4H2,1H3,(H,12,16)
InChIKeyLSUZHPQUTQZVFB-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.11
Rot. Bonds4

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 95749634) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID95749634
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1csc(C2CC2)n1
InChIInChI=1S/C11H12N4OS2/c1-6-9(18-15-14-6)10(16)12-4-8-5-17-11(13-8)7-2-3-7/h5,7H,2-4H2,1H3,(H,12,16)
InChIKeyLSUZHPQUTQZVFB-UHFFFAOYSA-N
XLogP2.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 122354245
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 95324736
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95324636
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 95749634) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is LSUZHPQUTQZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-6-9(18-15-14-6)10(16)12-4-8-5-17-11(13-8)7-2-3-7/h5,7H,2-4H2,1H3,(H,12,16).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 95749634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).