N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C9H13N3O2S — CID 87638926

IUPACN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCCC1
InChIInChI=1S/C9H13N3O2S/c13-6-7-5-10-8(15-7)11-9(14)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14)
InChIKeyBCHVQNNQHKSRDD-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.26
Rot. Bonds2

About N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 87638926) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID87638926
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCCC1
InChIInChI=1S/C9H13N3O2S/c13-6-7-5-10-8(15-7)11-9(14)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14)
InChIKeyBCHVQNNQHKSRDD-UHFFFAOYSA-N
XLogP1.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
3-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 79155683
N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
CID 96996719
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
CID 145485873
N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 142215501
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 126773295
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 87638926) is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ncc(CO)s1)N1CCCC1.
What is the InChIKey of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is BCHVQNNQHKSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-6-7-5-10-8(15-7)11-9(14)12-3-1-2-4-12/h5,13H,1-4,6H2,(H,10,11,14).
What are the key properties of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87638926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).