N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

C14H20N4S — CID 82431089

IUPACN-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2cnccn2)sc1CNCC(C)C
InChIInChI=1S/C14H20N4S/c1-4-11-13(9-16-7-10(2)3)19-14(18-11)12-8-15-5-6-17-12/h5-6,8,10,16H,4,7,9H2,1-3H3
InChIKeyKFSPPDXWHRJNEL-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds6

About N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82431089) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID82431089
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1nc(-c2cnccn2)sc1CNCC(C)C
InChIInChI=1S/C14H20N4S/c1-4-11-13(9-16-7-10(2)3)19-14(18-11)12-8-15-5-6-17-12/h5-6,8,10,16H,4,7,9H2,1-3H3
InChIKeyKFSPPDXWHRJNEL-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842149
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[[2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842077
N-[[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82441971
N-[[4-ethyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842115
N-[[2-(3,4-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842156
N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82439750
N-[[2-(2-bromo-5-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107924092
N-[[2-(2-chloro-4-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842167
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63990435
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 82431089) is N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CCc1nc(-c2cnccn2)sc1CNCC(C)C.
What is the InChIKey of N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is KFSPPDXWHRJNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-11-13(9-16-7-10(2)3)19-14(18-11)12-8-15-5-6-17-12/h5-6,8,10,16H,4,7,9H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).