ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea

C17H31N3O2S — CID 143744329

IUPACethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC.CC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O2S.C2H6/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4;1-2/h7,9-10,13H,8H2,1-6H3,(H,17,20);1-2H3
InChIKeyYZZZEVMZAZJAPN-UHFFFAOYSA-N
MW341.52 g/mol
LogP4.05
Rot. Bonds6

About ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea

ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 143744329) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
PubChem CID143744329
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Nameethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCC.CC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O2S.C2H6/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4;1-2/h7,9-10,13H,8H2,1-6H3,(H,17,20);1-2H3
InChIKeyYZZZEVMZAZJAPN-UHFFFAOYSA-N
XLogP4.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
(2S)-2-(carbamoylamino)-N,3,3-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 124874607
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 56785620
1-Methyl-3-(5-methyl-1-morpholin-4-yl-4-oxohexan-3-yl)-1-(1,3-thiazol-5-ylmethyl)urea
CID 57773754
3-(2,5-Dimethyl-4-oxohexan-3-yl)-1-methyl-1-(1,3-thiazol-5-ylmethyl)urea
CID 57773785
3-(2,5-Dimethyl-4-oxohexan-3-yl)-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 59721300
1-Cyclopropyl-3-(2-hydroxy-5-methyl-4-oxohexan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 59721378
3-(2-Hydroxy-5-methyl-4-oxohexan-3-yl)-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 59721397
1-Cyclopropyl-3-(2-hydroxy-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 67522984
1-Methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 67522991
3-(2-Hydroxy-4-oxopentan-3-yl)-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 68062286

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 143744329) is ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is CC.CC(=O)C(NC(=O)N(C)Cc1cnc(C(C)C)s1)C(C)C.
What is the InChIKey of ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is YZZZEVMZAZJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S.C2H6/c1-9(2)13(11(5)19)17-15(20)18(6)8-12-7-16-14(21-12)10(3)4;1-2/h7,9-10,13H,8H2,1-6H3,(H,17,20);1-2H3.
What are the key properties of ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea?
ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 341.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-methyl-4-oxopentan-3-yl)-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 143744329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).