2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H12N4O3S2 — CID 66381029

IUPAC2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nnsc1C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N4O3S2/c1-2-3-6-9(20-15-14-6)10(16)12-4-8-13-7(5-19-8)11(17)18/h5H,2-4H2,1H3,(H,12,16)(H,17,18)
InChIKeyPIHMLAOYJRFWOM-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.58
Rot. Bonds6

About 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381029) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381029
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCc1nnsc1C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N4O3S2/c1-2-3-6-9(20-15-14-6)10(16)12-4-8-13-7(5-19-8)11(17)18/h5H,2-4H2,1H3,(H,12,16)(H,17,18)
InChIKeyPIHMLAOYJRFWOM-UHFFFAOYSA-N
XLogP1.58
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
CID 37156613
2-[[(2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244787
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[[(5-ethyl-1,3-oxazole-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245115
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434
4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
CID 65210270
N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
2-[[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245261
2-[2-[(4-propylpyrimidine-5-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122558408
2-[(2-methylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379680
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66381029) is 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CCCc1nnsc1C(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PIHMLAOYJRFWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-2-3-6-9(20-15-14-6)10(16)12-4-8-13-7(5-19-8)11(17)18/h5H,2-4H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 312.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-propylthiadiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).