N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H25N3S — CID 63916943

IUPACN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCCN1c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C16H25N3S/c1-11-4-2-3-9-19(11)16-18-15(12-5-6-12)14(20-16)10-17-13-7-8-13/h11-13,17H,2-10H2,1H3
InChIKeyRWZYZZQNBCLSQW-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.65
Rot. Bonds5

About N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63916943) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63916943
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CCCCN1c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C16H25N3S/c1-11-4-2-3-9-19(11)16-18-15(12-5-6-12)14(20-16)10-17-13-7-8-13/h11-13,17H,2-10H2,1H3
InChIKeyRWZYZZQNBCLSQW-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63917133
[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79178304
N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63917230
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 115562445
N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916771
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63916943) is N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1CCCCN1c1nc(C2CC2)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is RWZYZZQNBCLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-11-4-2-3-9-19(11)16-18-15(12-5-6-12)14(20-16)10-17-13-7-8-13/h11-13,17H,2-10H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 291.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63916943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).