1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea

C15H23N3O2S — CID 97073699

IUPAC1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESCc1csc([C@@H](NC(=O)N(CCO)CC2CC2)C2CC2)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)13(12-4-5-12)17-15(20)18(6-7-19)8-11-2-3-11/h9,11-13,19H,2-8H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyVXGSQIDYCLJSRI-ZDUSSCGKSA-N
MW309.44 g/mol
LogP2.32
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea

1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 97073699) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID97073699
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESCc1csc([C@@H](NC(=O)N(CCO)CC2CC2)C2CC2)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)13(12-4-5-12)17-15(20)18(6-7-19)8-11-2-3-11/h9,11-13,19H,2-8H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyVXGSQIDYCLJSRI-ZDUSSCGKSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea (CID 97073699) is 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea is Cc1csc([C@@H](NC(=O)N(CCO)CC2CC2)C2CC2)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is VXGSQIDYCLJSRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-9-21-14(16-10)13(12-4-5-12)17-15(20)18(6-7-19)8-11-2-3-11/h9,11-13,19H,2-8H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 309.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 97073699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).