1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

C15H26N4OS — CID 95758195

IUPAC1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCC1(N(C)C)CCCCC1)c1nccs1
InChIInChI=1S/C15H26N4OS/c1-12(13-16-9-10-21-13)18-14(20)17-11-15(19(2)3)7-5-4-6-8-15/h9-10,12H,4-8,11H2,1-3H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyBJEXXFDTDASYMY-LBPRGKRZSA-N
MW310.47 g/mol
LogP2.77
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95758195) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID95758195
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCC1(N(C)C)CCCCC1)c1nccs1
InChIInChI=1S/C15H26N4OS/c1-12(13-16-9-10-21-13)18-14(20)17-11-15(19(2)3)7-5-4-6-8-15/h9-10,12H,4-8,11H2,1-3H3,(H2,17,18,20)/t12-/m0/s1
InChIKeyBJEXXFDTDASYMY-LBPRGKRZSA-N
XLogP2.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887575
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65224155
4,4-dimethyl-2-[[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 107474465
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781475

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 95758195) is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@H](NC(=O)NCC1(N(C)C)CCCCC1)c1nccs1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BJEXXFDTDASYMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(13-16-9-10-21-13)18-14(20)17-11-15(19(2)3)7-5-4-6-8-15/h9-10,12H,4-8,11H2,1-3H3,(H2,17,18,20)/t12-/m0/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 310.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).