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

C9H11N5OS2 — CID 80614966

IUPAC5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nnc(N)s2)cs1
InChIInChI=1S/C9H11N5OS2/c1-5-11-6(4-16-5)3-14(2)8(15)7-12-13-9(10)17-7/h4H,3H2,1-2H3,(H2,10,13)
InChIKeyKWLWOMKDVARAEV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.16
Rot. Bonds3

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

5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614966) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614966
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nnc(N)s2)cs1
InChIInChI=1S/C9H11N5OS2/c1-5-11-6(4-16-5)3-14(2)8(15)7-12-13-9(10)17-7/h4H,3H2,1-2H3,(H2,10,13)
InChIKeyKWLWOMKDVARAEV-UHFFFAOYSA-N
XLogP1.16
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
5-amino-N-[(4-bromophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617538
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664669
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55041466

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80614966) is 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1nc(CN(C)C(=O)c2nnc(N)s2)cs1.
What is the InChIKey of 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KWLWOMKDVARAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-5-11-6(4-16-5)3-14(2)8(15)7-12-13-9(10)17-7/h4H,3H2,1-2H3,(H2,10,13).
What are the key properties of 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).