2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid

C9H12N2O3S — CID 130569074

IUPAC2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC(O)C2)s1
InChIInChI=1S/C9H12N2O3S/c12-6-1-5(2-6)3-10-9-11-4-7(15-9)8(13)14/h4-6,12H,1-3H2,(H,10,11)(H,13,14)
InChIKeyWULKGYHTNCREBK-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.02
Rot. Bonds4

About 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid

2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 130569074) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID130569074
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC(O)C2)s1
InChIInChI=1S/C9H12N2O3S/c12-6-1-5(2-6)3-10-9-11-4-7(15-9)8(13)14/h4-6,12H,1-3H2,(H,10,11)(H,13,14)
InChIKeyWULKGYHTNCREBK-UHFFFAOYSA-N
XLogP1.02
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiolan-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80587042
2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641583
2-(thian-2-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80612543
2-(cyclopentylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641579
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 130925805
2-(3-cyclopentylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 106006443
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
CID 115409393
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571216

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid (CID 130569074) is 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NCC2CC(O)C2)s1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WULKGYHTNCREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c12-6-1-5(2-6)3-10-9-11-4-7(15-9)8(13)14/h4-6,12H,1-3H2,(H,10,11)(H,13,14).
What are the key properties of 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid?
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130569074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).