(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea

C15H25N3O2S — CID 24898277

IUPAC(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
SMILESCCC(C)(C)NC(=O)/N=c1\sccn1CC1CCCCO1
InChIInChI=1S/C15H25N3O2S/c1-4-15(2,3)17-13(19)16-14-18(8-10-21-14)11-12-7-5-6-9-20-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,19)/b16-14-
InChIKeyXLJBPFYEOBXSJN-PEZBUJJGSA-N
MW311.45 g/mol
LogP2.92
Rot. Bonds4

About (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea

(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea (PubChem CID 24898277) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea.

Molecular Properties

Compound Name(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
PubChem CID24898277
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
SMILESCCC(C)(C)NC(=O)/N=c1\sccn1CC1CCCCO1
InChIInChI=1S/C15H25N3O2S/c1-4-15(2,3)17-13(19)16-14-18(8-10-21-14)11-12-7-5-6-9-20-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,19)/b16-14-
InChIKeyXLJBPFYEOBXSJN-PEZBUJJGSA-N
XLogP2.92
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea with MolForge

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
CID 68621859
1-(2,2-dimethylpropyl)-3-[5-methyl-3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
CID 68621603
N-(2-methylbutan-2-yl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014424
(3Z)-1-[(2R)-3,3-dimethylbutan-2-yl]-3-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
CID 24898717
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
N-tert-butyl-2-(oxan-2-ylmethylamino)acetamide
CID 60697952
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718292
N-(2-methylbutan-2-yl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 8581837
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea?
The IUPAC name of (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea (CID 24898277) is (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea.
What is the SMILES notation for (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea?
The canonical SMILES for (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea is CCC(C)(C)NC(=O)/N=c1\sccn1CC1CCCCO1.
What is the InChIKey of (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea?
The InChIKey is XLJBPFYEOBXSJN-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-15(2,3)17-13(19)16-14-18(8-10-21-14)11-12-7-5-6-9-20-12/h8,10,12H,4-7,9,11H2,1-3H3,(H,17,19)/b16-14-.
What are the key properties of (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea?
(3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea has a molecular weight of 311.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2-methylbutan-2-yl)-3-[3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea is sourced from PubChem (CID 24898277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).