N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C17H31N3S — CID 63655931

IUPACN-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCCC2)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-5-15-16(11-18-10-13(2)3)21-17(19-15)20(4)12-14-8-6-7-9-14/h13-14,18H,5-12H2,1-4H3
InChIKeyIWYHPWBQZKANJA-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.08
Rot. Bonds8

About N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63655931) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63655931
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCCC2)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-5-15-16(11-18-10-13(2)3)21-17(19-15)20(4)12-14-8-6-7-9-14/h13-14,18H,5-12H2,1-4H3
InChIKeyIWYHPWBQZKANJA-UHFFFAOYSA-N
XLogP4.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.08
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
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55125918
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62854241
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
N-[[4-ethyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842194

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 63655931) is N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCc1nc(N(C)CC2CCCC2)sc1CNCC(C)C.
What is the InChIKey of N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is IWYHPWBQZKANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-15-16(11-18-10-13(2)3)21-17(19-15)20(4)12-14-8-6-7-9-14/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63655931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).