4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine

C16H28N4S — CID 63917164

IUPAC4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCCN(C)C2)nc1C1CC1
InChIInChI=1S/C16H28N4S/c1-4-17-10-14-15(12-7-8-12)18-16(21-14)20(3)13-6-5-9-19(2)11-13/h12-13,17H,4-11H2,1-3H3
InChIKeyYMBZKDJIHZIXMF-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.66
Rot. Bonds6

About 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine

4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 63917164) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
PubChem CID63917164
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCCN(C)C2)nc1C1CC1
InChIInChI=1S/C16H28N4S/c1-4-17-10-14-15(12-7-8-12)18-16(21-14)20(3)13-6-5-9-19(2)11-13/h12-13,17H,4-11H2,1-3H3
InChIKeyYMBZKDJIHZIXMF-UHFFFAOYSA-N
XLogP2.66
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917935
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62768533
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine (CID 63917164) is 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)C2CCCN(C)C2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is YMBZKDJIHZIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-4-17-10-14-15(12-7-8-12)18-16(21-14)20(3)13-6-5-9-19(2)11-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine?
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 308.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).