N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

C16H24N4S — CID 82439750

IUPACN-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1sc(-c2cnccn2)nc1C(C)(C)C
InChIInChI=1S/C16H24N4S/c1-6-11(2)19-10-13-14(16(3,4)5)20-15(21-13)12-9-17-7-8-18-12/h7-9,11,19H,6,10H2,1-5H3
InChIKeyYRRDQIHGAGDIII-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.79
Rot. Bonds5

About N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 82439750) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID82439750
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1sc(-c2cnccn2)nc1C(C)(C)C
InChIInChI=1S/C16H24N4S/c1-6-11(2)19-10-13-14(16(3,4)5)20-15(21-13)12-9-17-7-8-18-12/h7-9,11,19H,6,10H2,1-5H3
InChIKeyYRRDQIHGAGDIII-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82425407
2-methyl-N-[[4-(2-methylpropyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369660
N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82431089
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82438789
N-[[4-tert-butyl-2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82439313
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
N-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butan-2-amine
CID 106678195
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114362981
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanol
CID 2776508
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82438601

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 82439750) is N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1sc(-c2cnccn2)nc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is YRRDQIHGAGDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-6-11(2)19-10-13-14(16(3,4)5)20-15(21-13)12-9-17-7-8-18-12/h7-9,11,19H,6,10H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 82439750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).