N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine

C14H25N3S — CID 64544356

IUPACN-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(C(C)NCC)cs1)C1CC1
InChIInChI=1S/C14H25N3S/c1-4-6-9-17(12-7-8-12)14-16-13(10-18-14)11(3)15-5-2/h10-12,15H,4-9H2,1-3H3
InChIKeyJRJCJOXABKMDFA-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.58
Rot. Bonds8

About N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine

N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64544356) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64544356
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(C(C)NCC)cs1)C1CC1
InChIInChI=1S/C14H25N3S/c1-4-6-9-17(12-7-8-12)14-16-13(10-18-14)11(3)15-5-2/h10-12,15H,4-9H2,1-3H3
InChIKeyJRJCJOXABKMDFA-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64543556
N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64544326
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871475
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 64543335

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine (CID 64544356) is N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine is CCCCN(c1nc(C(C)NCC)cs1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is JRJCJOXABKMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-6-9-17(12-7-8-12)14-16-13(10-18-14)11(3)15-5-2/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64544356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).