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

C12H19N3OS — CID 94196349

IUPAC1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1nc(C)c([C@H](C)NC(=O)NCC2CC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)13-6-10-4-5-10/h8,10H,4-6H2,1-3H3,(H2,13,15,16)/t8-/m0/s1
InChIKeyBKVKAFXGXRKFKM-QMMMGPOBSA-N
MW253.37 g/mol
LogP2.53
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea (PubChem CID 94196349) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
PubChem CID94196349
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
SMILESCc1nc(C)c([C@H](C)NC(=O)NCC2CC2)s1
InChIInChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)13-6-10-4-5-10/h8,10H,4-6H2,1-3H3,(H2,13,15,16)/t8-/m0/s1
InChIKeyBKVKAFXGXRKFKM-QMMMGPOBSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 53557038
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea
CID 56783169
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 56823158
1-Cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56823192
3-Ethyl-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-YL)urea
CID 71876557
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
1-[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethyl]-3-(3-methylcyclohexyl)urea
CID 47329395

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea (CID 94196349) is 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea is Cc1nc(C)c([C@H](C)NC(=O)NCC2CC2)s1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea?
The InChIKey is BKVKAFXGXRKFKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7-11(17-9(3)14-7)8(2)15-12(16)13-6-10-4-5-10/h8,10H,4-6H2,1-3H3,(H2,13,15,16)/t8-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea?
1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea has a molecular weight of 253.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea is sourced from PubChem (CID 94196349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).