1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C14H21N5OS — CID 94188210

IUPAC1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H](C)c2cnn(C)c2C)cs1
InChIInChI=1S/C14H21N5OS/c1-9(13-7-16-19(4)10(13)2)17-14(20)15-6-5-12-8-21-11(3)18-12/h7-9H,5-6H2,1-4H3,(H2,15,17,20)/t9-/m0/s1
InChIKeyYZBTUNHGGBTLMJ-VIFPVBQESA-N
MW307.42 g/mol
LogP2.10
Rot. Bonds5

About 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 94188210) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID94188210
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@H](C)c2cnn(C)c2C)cs1
InChIInChI=1S/C14H21N5OS/c1-9(13-7-16-19(4)10(13)2)17-14(20)15-6-5-12-8-21-11(3)18-12/h7-9H,5-6H2,1-4H3,(H2,15,17,20)/t9-/m0/s1
InChIKeyYZBTUNHGGBTLMJ-VIFPVBQESA-N
XLogP2.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94028530
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CID 95590660
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CID 43752001
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-(3,4-dimethoxyphenyl)propyl]-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 47080011
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 124728449
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
(2S)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106038811
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95131912

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 94188210) is 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)N[C@@H](C)c2cnn(C)c2C)cs1.
What is the InChIKey of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is YZBTUNHGGBTLMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9(13-7-16-19(4)10(13)2)17-14(20)15-6-5-12-8-21-11(3)18-12/h7-9H,5-6H2,1-4H3,(H2,15,17,20)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 307.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 94188210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).