1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea

C16H18N4OS — CID 122246912

IUPAC1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cncc(C2CC2)c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C16H18N4OS/c21-15(20-16-19-14(9-22-16)12-3-4-12)18-7-10-5-13(8-17-6-10)11-1-2-11/h5-6,8-9,11-12H,1-4,7H2,(H2,18,19,20,21)
InChIKeyKKQNTKDHVCKLHH-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.61
Rot. Bonds5

About 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea (PubChem CID 122246912) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
PubChem CID122246912
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cncc(C2CC2)c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C16H18N4OS/c21-15(20-16-19-14(9-22-16)12-3-4-12)18-7-10-5-13(8-17-6-10)11-1-2-11/h5-6,8-9,11-12H,1-4,7H2,(H2,18,19,20,21)
InChIKeyKKQNTKDHVCKLHH-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea
CID 166209124
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 122246918
1-tert-butyl-3-[(5-cyclopropyl-3-pyridinyl)methyl]urea
CID 122162869
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851054
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
CID 136540282
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 112825265
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
3-amino-4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 64894586

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea (CID 122246912) is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea is O=C(NCc1cncc(C2CC2)c1)Nc1nc(C2CC2)cs1.
What is the InChIKey of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
The InChIKey is KKQNTKDHVCKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-15(20-16-19-14(9-22-16)12-3-4-12)18-7-10-5-13(8-17-6-10)11-1-2-11/h5-6,8-9,11-12H,1-4,7H2,(H2,18,19,20,21).
What are the key properties of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea?
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea has a molecular weight of 314.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 122246912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).