N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine

C14H25N3S — CID 64544590

IUPACN-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)CC2CCCC2)n1
InChIInChI=1S/C14H25N3S/c1-4-15-11(2)13-10-18-14(16-13)17(3)9-12-7-5-6-8-12/h10-12,15H,4-9H2,1-3H3
InChIKeyBNWBDSUAAMJYGD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.44
Rot. Bonds6

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

N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 64544590) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID64544590
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1csc(N(C)CC2CCCC2)n1
InChIInChI=1S/C14H25N3S/c1-4-15-11(2)13-10-18-14(16-13)17(3)9-12-7-5-6-8-12/h10-12,15H,4-9H2,1-3H3
InChIKeyBNWBDSUAAMJYGD-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 64543178
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
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64544356
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82753671
4-[1-(ethylamino)ethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 64544545
4-[1-(ethylamino)ethyl]-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871475

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 64544590) is N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is CCNC(C)c1csc(N(C)CC2CCCC2)n1.
What is the InChIKey of N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is BNWBDSUAAMJYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-15-11(2)13-10-18-14(16-13)17(3)9-12-7-5-6-8-12/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64544590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).