1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

C14H18N4OS — CID 96518675

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1scnc1C)c1ccncc1
InChIInChI=1S/C14H18N4OS/c1-3-12(11-4-6-15-7-5-11)18-14(19)16-8-13-10(2)17-9-20-13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18,19)/t12-/m0/s1
InChIKeyNBSKSMPDDOZHQY-LBPRGKRZSA-N
MW290.39 g/mol
LogP2.80
Rot. Bonds5

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (PubChem CID 96518675) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
PubChem CID96518675
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1scnc1C)c1ccncc1
InChIInChI=1S/C14H18N4OS/c1-3-12(11-4-6-15-7-5-11)18-14(19)16-8-13-10(2)17-9-20-13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18,19)/t12-/m0/s1
InChIKeyNBSKSMPDDOZHQY-LBPRGKRZSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea with MolForge

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Related Compounds

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 109389967
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
1-[(6-methoxy-3-pyridinyl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 71990716
1-(2-hydroxy-3-methylpentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111338458
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (CID 96518675) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is CC[C@H](NC(=O)NCc1scnc1C)c1ccncc1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The InChIKey is NBSKSMPDDOZHQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-12(11-4-6-15-7-5-11)18-14(19)16-8-13-10(2)17-9-20-13/h4-7,9,12H,3,8H2,1-2H3,(H2,16,18,19)/t12-/m0/s1.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is sourced from PubChem (CID 96518675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).