N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H29N3S — CID 62752753

IUPACN-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CCCCC2)s1
InChIInChI=1S/C16H29N3S/c1-13(2)9-17-10-15-11-18-16(20-15)19(3)12-14-7-5-4-6-8-14/h11,13-14,17H,4-10,12H2,1-3H3
InChIKeyQPDCRKCBZCIGDT-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.91
Rot. Bonds7

About N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62752753) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62752753
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CCCCC2)s1
InChIInChI=1S/C16H29N3S/c1-13(2)9-17-10-15-11-18-16(20-15)19(3)12-14-7-5-4-6-8-14/h11,13-14,17H,4-10,12H2,1-3H3
InChIKeyQPDCRKCBZCIGDT-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 55112302
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63706852
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63864052
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 62752929
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379872
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62752753) is N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(C)CC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is QPDCRKCBZCIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-13(2)9-17-10-15-11-18-16(20-15)19(3)12-14-7-5-4-6-8-14/h11,13-14,17H,4-10,12H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62752753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).