N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C16H26N4S — CID 71915898

IUPACN-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(CN2CCN(CC3CC3)CC2)cs1)C1CC1
InChIInChI=1S/C16H26N4S/c1-18(15-4-5-15)16-17-14(12-21-16)11-20-8-6-19(7-9-20)10-13-2-3-13/h12-13,15H,2-11H2,1H3
InChIKeyBHYBKPZRZYODAO-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 71915898) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID71915898
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(CN2CCN(CC3CC3)CC2)cs1)C1CC1
InChIInChI=1S/C16H26N4S/c1-18(15-4-5-15)16-17-14(12-21-16)11-20-8-6-19(7-9-20)10-13-2-3-13/h12-13,15H,2-11H2,1H3
InChIKeyBHYBKPZRZYODAO-UHFFFAOYSA-N
XLogP2.27
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 97232300
1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 154763103
N-cyclopropyl-4-[[(3S)-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 164634573
4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71755793
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 43532067
1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 71915672
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 71915898) is N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CN(c1nc(CN2CCN(CC3CC3)CC2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is BHYBKPZRZYODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-18(15-4-5-15)16-17-14(12-21-16)11-20-8-6-19(7-9-20)10-13-2-3-13/h12-13,15H,2-11H2,1H3.
What are the key properties of N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 306.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71915898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).