2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid

C13H10N4O3S — CID 43354595

IUPAC2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C13H10N4O3S/c18-11(19)4-9-6-21-13(15-9)16-12(20)7-1-2-8-5-14-17-10(8)3-7/h1-3,5-6H,4H2,(H,14,17)(H,18,19)(H,15,16,20)
InChIKeyHFCRATYXLFXVCI-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.90
Rot. Bonds4

About 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43354595) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID43354595
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Name2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C13H10N4O3S/c18-11(19)4-9-6-21-13(15-9)16-12(20)7-1-2-8-5-14-17-10(8)3-7/h1-3,5-6H,4H2,(H,14,17)(H,18,19)(H,15,16,20)
InChIKeyHFCRATYXLFXVCI-UHFFFAOYSA-N
XLogP1.90
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
2-[2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43170587
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-indazole-6-carboxamide
CID 60715306
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
2-[2-(thiadiazole-4-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62032288
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid (CID 43354595) is 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HFCRATYXLFXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c18-11(19)4-9-6-21-13(15-9)16-12(20)7-1-2-8-5-14-17-10(8)3-7/h1-3,5-6H,4H2,(H,14,17)(H,18,19)(H,15,16,20).
What are the key properties of 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 302.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43354595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).