N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C16H26N4S — CID 79825756

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)c1ccn(C)n1
InChIInChI=1S/C16H26N4S/c1-6-8-17-13(12-7-9-20(5)19-12)10-15-18-14(11-21-15)16(2,3)4/h7,9,11,13,17H,6,8,10H2,1-5H3
InChIKeyMUPCIWAGKGHEJO-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 79825756) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID79825756
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)c1ccn(C)n1
InChIInChI=1S/C16H26N4S/c1-6-8-17-13(12-7-9-20(5)19-12)10-15-18-14(11-21-15)16(2,3)4/h7,9,11,13,17H,6,8,10H2,1-5H3
InChIKeyMUPCIWAGKGHEJO-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
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N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
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N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
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N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105169530
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 79825756) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C(C)(C)C)cs1)c1ccn(C)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is MUPCIWAGKGHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-6-8-17-13(12-7-9-20(5)19-12)10-15-18-14(11-21-15)16(2,3)4/h7,9,11,13,17H,6,8,10H2,1-5H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79825756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).