1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea

C14H18N4OS — CID 97095551

IUPAC1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCC[C@](C)(NC(=O)NCc1ccncc1)c1nccs1
InChIInChI=1S/C14H18N4OS/c1-3-14(2,12-16-8-9-20-12)18-13(19)17-10-11-4-6-15-7-5-11/h4-9H,3,10H2,1-2H3,(H2,17,18,19)/t14-/m0/s1
InChIKeyZWANGEJGZQEJJG-AWEZNQCLSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds5

About 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea

1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea (PubChem CID 97095551) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
PubChem CID97095551
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCC[C@](C)(NC(=O)NCc1ccncc1)c1nccs1
InChIInChI=1S/C14H18N4OS/c1-3-14(2,12-16-8-9-20-12)18-13(19)17-10-11-4-6-15-7-5-11/h4-9H,3,10H2,1-2H3,(H2,17,18,19)/t14-/m0/s1
InChIKeyZWANGEJGZQEJJG-AWEZNQCLSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
CID 166224655
1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97261222
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431
(2S)-3,3-dimethyl-2-(pyridin-4-ylmethylcarbamoylamino)butanoic acid
CID 61194954
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea?
The IUPAC name of 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea (CID 97095551) is 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea is CC[C@](C)(NC(=O)NCc1ccncc1)c1nccs1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea?
The InChIKey is ZWANGEJGZQEJJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-14(2,12-16-8-9-20-12)18-13(19)17-10-11-4-6-15-7-5-11/h4-9H,3,10H2,1-2H3,(H2,17,18,19)/t14-/m0/s1.
What are the key properties of 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea?
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea is sourced from PubChem (CID 97095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).