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

C16H26N4S — CID 63917230

IUPACN-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H26N4S/c1-11-10-20(8-7-19(11)2)16-18-15(12-3-4-12)14(21-16)9-17-13-5-6-13/h11-13,17H,3-10H2,1-2H3
InChIKeyUNHQAUUOLRDYDC-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.41
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63917230) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63917230
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H26N4S/c1-11-10-20(8-7-19(11)2)16-18-15(12-3-4-12)14(21-16)9-17-13-5-6-13/h11-13,17H,3-10H2,1-2H3
InChIKeyUNHQAUUOLRDYDC-UHFFFAOYSA-N
XLogP2.41
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55217979
N-[[4-cyclopropyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916771
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79178304
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943
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-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62768888
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63917230) is N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1CN(c2nc(C3CC3)c(CNC3CC3)s2)CCN1C.
What is the InChIKey of N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is UNHQAUUOLRDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-11-10-20(8-7-19(11)2)16-18-15(12-3-4-12)14(21-16)9-17-13-5-6-13/h11-13,17H,3-10H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 306.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63917230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).