1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea

C11H18N4OS — CID 52593631

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
SMILESCC(C)[C@H](C)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H18N4OS/c1-6(2)7(3)12-10(16)13-11-15-14-9(17-11)8-4-5-8/h6-8H,4-5H2,1-3H3,(H2,12,13,15,16)/t7-/m0/s1
InChIKeyIKNYLZPSTSGHLO-ZETCQYMHSA-N
MW254.36 g/mol
LogP2.58
Rot. Bonds4

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea (PubChem CID 52593631) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
PubChem CID52593631
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
SMILESCC(C)[C@H](C)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H18N4OS/c1-6(2)7(3)12-10(16)13-11-15-14-9(17-11)8-4-5-8/h6-8H,4-5H2,1-3H3,(H2,12,13,15,16)/t7-/m0/s1
InChIKeyIKNYLZPSTSGHLO-ZETCQYMHSA-N
XLogP2.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 47048319
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(2S,3R)-3-(1,2,4-triazol-1-yl)butan-2-yl]urea
CID 95315400
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
N-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]phenyl]-3-methylbutanamide
CID 55973650
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 51944913
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 163638061
(2S)-2-(4-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 8503003

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea (CID 52593631) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea is CC(C)[C@H](C)NC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea?
The InChIKey is IKNYLZPSTSGHLO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)7(3)12-10(16)13-11-15-14-9(17-11)8-4-5-8/h6-8H,4-5H2,1-3H3,(H2,12,13,15,16)/t7-/m0/s1.
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea has a molecular weight of 254.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 52593631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).