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

C14H25N3S — CID 63916947

IUPACN-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C2CC2)c(CNCC)s1
InChIInChI=1S/C14H25N3S/c1-4-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-5-2/h11,15H,4-10H2,1-3H3
InChIKeyGULSHHFEFNOEIQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.37
Rot. Bonds8

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

N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 63916947) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID63916947
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C2CC2)c(CNCC)s1
InChIInChI=1S/C14H25N3S/c1-4-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-5-2/h11,15H,4-10H2,1-3H3
InChIKeyGULSHHFEFNOEIQ-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
CID 63915980
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63916176
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63915785
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63917628
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916442
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine (CID 63916947) is N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is CCCCN(C)c1nc(C2CC2)c(CNCC)s1.
What is the InChIKey of N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GULSHHFEFNOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-6-9-17(3)14-16-13(11-7-8-11)12(18-14)10-15-5-2/h11,15H,4-10H2,1-3H3.
What are the key properties of N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine?
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63916947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).