1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea

C12H17N3OS — CID 108915529

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
SMILESC/C(=C\NC(=O)Nc1nc(C)c(C)s1)C1CC1
InChIInChI=1S/C12H17N3OS/c1-7(10-4-5-10)6-13-11(16)15-12-14-8(2)9(3)17-12/h6,10H,4-5H2,1-3H3,(H2,13,14,15,16)/b7-6+
InChIKeyCYBXRZUJRXLTNJ-VOTSOKGWSA-N
MW251.35 g/mol
LogP3.20
Rot. Bonds3

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea

1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea (PubChem CID 108915529) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
PubChem CID108915529
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
SMILESC/C(=C\NC(=O)Nc1nc(C)c(C)s1)C1CC1
InChIInChI=1S/C12H17N3OS/c1-7(10-4-5-10)6-13-11(16)15-12-14-8(2)9(3)17-12/h6,10H,4-5H2,1-3H3,(H2,13,14,15,16)/b7-6+
InChIKeyCYBXRZUJRXLTNJ-VOTSOKGWSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
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1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-phenylethenyl]urea
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1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
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CID 18128666
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 814106
2-cyclohexyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]acetic acid
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504625
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91242212
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
1-(cyanomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea (CID 108915529) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea is C/C(=C\NC(=O)Nc1nc(C)c(C)s1)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
The InChIKey is CYBXRZUJRXLTNJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7(10-4-5-10)6-13-11(16)15-12-14-8(2)9(3)17-12/h6,10H,4-5H2,1-3H3,(H2,13,14,15,16)/b7-6+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea has a molecular weight of 251.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108915529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).