1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea

C11H14N6OS — CID 166209124

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea
SMILESCn1nncc1CNC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H14N6OS/c1-17-8(5-13-16-17)4-12-10(18)15-11-14-9(6-19-11)7-2-3-7/h5-7H,2-4H2,1H3,(H2,12,14,15,18)
InChIKeyBLNJYAGKFIZFTD-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.47
Rot. Bonds4

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

1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea (PubChem CID 166209124) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea
PubChem CID166209124
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea
SMILESCn1nncc1CNC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H14N6OS/c1-17-8(5-13-16-17)4-12-10(18)15-11-14-9(6-19-11)7-2-3-7/h5-7H,2-4H2,1H3,(H2,12,14,15,18)
InChIKeyBLNJYAGKFIZFTD-UHFFFAOYSA-N
XLogP1.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 122246912
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-[(5-methylthiophen-2-yl)methyl]urea
CID 136540282
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64700681
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851054
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 112825265
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992179
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65353990
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
2-(tert-butylamino)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47842528

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea (CID 166209124) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea is Cn1nncc1CNC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea?
The InChIKey is BLNJYAGKFIZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-17-8(5-13-16-17)4-12-10(18)15-11-14-9(6-19-11)7-2-3-7/h5-7H,2-4H2,1H3,(H2,12,14,15,18).
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea?
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea has a molecular weight of 278.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[(3-methyltriazol-4-yl)methyl]urea is sourced from PubChem (CID 166209124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).