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

C14H24N4OS — CID 95131912

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
SMILESCc1nc(CCNC(=O)NC[C@@H](C)N2CCCC2)cs1
InChIInChI=1S/C14H24N4OS/c1-11(18-7-3-4-8-18)9-16-14(19)15-6-5-13-10-20-12(2)17-13/h10-11H,3-9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyIWIVXOSUFKDWHV-LLVKDONJSA-N
MW296.44 g/mol
LogP1.78
Rot. Bonds6

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

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea (PubChem CID 95131912) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
PubChem CID95131912
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
SMILESCc1nc(CCNC(=O)NC[C@@H](C)N2CCCC2)cs1
InChIInChI=1S/C14H24N4OS/c1-11(18-7-3-4-8-18)9-16-14(19)15-6-5-13-10-20-12(2)17-13/h10-11H,3-9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyIWIVXOSUFKDWHV-LLVKDONJSA-N
XLogP1.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 97099835
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029075
1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029050
1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95133792
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934024
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934023
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2S)-2-piperidin-1-ylpropyl]benzamide
CID 51967020
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2R)-2-piperidin-1-ylpropyl]benzamide
CID 51967018
3-methoxy-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038535
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea (CID 95131912) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea is Cc1nc(CCNC(=O)NC[C@@H](C)N2CCCC2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea?
The InChIKey is IWIVXOSUFKDWHV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(18-7-3-4-8-18)9-16-14(19)15-6-5-13-10-20-12(2)17-13/h10-11H,3-9H2,1-2H3,(H2,15,16,19)/t11-/m1/s1.
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea has a molecular weight of 296.44 g/mol, XLogP of 1.78, 6 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-[(2R)-2-pyrrolidin-1-ylpropyl]urea is sourced from PubChem (CID 95131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).