1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C17H23N5OS — CID 99117209

IUPAC1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCc1nc([C@@H](C)NC(=O)Nc2cccnc2N2CCCC2)cs1
InChIInChI=1S/C17H23N5OS/c1-3-15-20-14(11-24-15)12(2)19-17(23)21-13-7-6-8-18-16(13)22-9-4-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,21,23)/t12-/m1/s1
InChIKeyPPFXGPKTISGSKQ-GFCCVEGCSA-N
MW345.47 g/mol
LogP3.58
Rot. Bonds5

About 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 99117209) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID99117209
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCc1nc([C@@H](C)NC(=O)Nc2cccnc2N2CCCC2)cs1
InChIInChI=1S/C17H23N5OS/c1-3-15-20-14(11-24-15)12(2)19-17(23)21-13-7-6-8-18-16(13)22-9-4-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,21,23)/t12-/m1/s1
InChIKeyPPFXGPKTISGSKQ-GFCCVEGCSA-N
XLogP3.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 126794943
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 126782459
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
5-[1-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119128262
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71991778

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 99117209) is 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is CCc1nc([C@@H](C)NC(=O)Nc2cccnc2N2CCCC2)cs1.
What is the InChIKey of 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is PPFXGPKTISGSKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-3-15-20-14(11-24-15)12(2)19-17(23)21-13-7-6-8-18-16(13)22-9-4-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,21,23)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 345.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 99117209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).