N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C13H23N3S — CID 55125918

IUPACN-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCC2)sc1CNC
InChIInChI=1S/C13H23N3S/c1-4-11-12(8-14-2)17-13(15-11)16(3)9-10-6-5-7-10/h10,14H,4-9H2,1-3H3
InChIKeyFFKDKFLCRDFJGV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.66
Rot. Bonds6

About N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55125918) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55125918
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCC2)sc1CNC
InChIInChI=1S/C13H23N3S/c1-4-11-12(8-14-2)17-13(15-11)16(3)9-10-6-5-7-10/h10,14H,4-9H2,1-3H3
InChIKeyFFKDKFLCRDFJGV-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62854241
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62768533
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117851
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
5-(aminomethyl)-N-(cyclobutylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510290
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841091

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 55125918) is N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CC2CCC2)sc1CNC.
What is the InChIKey of N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is FFKDKFLCRDFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-11-12(8-14-2)17-13(15-11)16(3)9-10-6-5-7-10/h10,14H,4-9H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).