1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

C14H18N4OS — CID 94028530

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H](C)c2cccnc2)cs1
InChIInChI=1S/C14H18N4OS/c1-10(12-4-3-6-15-8-12)17-14(19)16-7-5-13-9-20-11(2)18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyPVNRGEPSQGSPKX-JTQLQIEISA-N
MW290.39 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 94028530) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID94028530
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H](C)c2cccnc2)cs1
InChIInChI=1S/C14H18N4OS/c1-10(12-4-3-6-15-8-12)17-14(19)16-7-5-13-9-20-11(2)18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,16,17,19)/t10-/m0/s1
InChIKeyPVNRGEPSQGSPKX-JTQLQIEISA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94188210
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
(2S)-N-[(2S)-butan-2-yl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]propanamide
CID 95590660
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
(2S)-3,3-dimethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 103994731
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
4-hydroxy-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038221
1-[(3-bromothiophen-2-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 122160095
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94172228

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 94028530) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is Cc1nc(CCNC(=O)N[C@@H](C)c2cccnc2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is PVNRGEPSQGSPKX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10(12-4-3-6-15-8-12)17-14(19)16-7-5-13-9-20-11(2)18-13/h3-4,6,8-10H,5,7H2,1-2H3,(H2,16,17,19)/t10-/m0/s1.
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 94028530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).