1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea

C10H13N3S — CID 972429

IUPAC1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea
SMILESS=C(NCc1cccnc1)NC1CC1
InChIInChI=1S/C10H13N3S/c14-10(13-9-3-4-9)12-7-8-2-1-5-11-6-8/h1-2,5-6,9H,3-4,7H2,(H2,12,13,14)
InChIKeyISMAGIGPZPKMFD-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.21
Rot. Bonds3

About 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea

1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea (PubChem CID 972429) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea
PubChem CID972429
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea
SMILESS=C(NCc1cccnc1)NC1CC1
InChIInChI=1S/C10H13N3S/c14-10(13-9-3-4-9)12-7-8-2-1-5-11-6-8/h1-2,5-6,9H,3-4,7H2,(H2,12,13,14)
InChIKeyISMAGIGPZPKMFD-UHFFFAOYSA-N
XLogP1.21
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(pyridin-3-ylmethyl)thiourea
CID 98293669
1-(2,3-dihydro-1H-inden-1-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 23738634
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
1-propyl-3-(pyridin-3-ylmethyl)thiourea
CID 19686579
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
pyridin-3-ylmethylcarbamodithioic acid;hydrochloride
CID 89413120
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
1-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 23822085

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea (CID 972429) is 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea is S=C(NCc1cccnc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea?
The InChIKey is ISMAGIGPZPKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c14-10(13-9-3-4-9)12-7-8-2-1-5-11-6-8/h1-2,5-6,9H,3-4,7H2,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea?
1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 972429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).