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

C16H26N4S — CID 43768916

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H26N4S/c1-9-13(12(4)20(8)19-9)17-10(2)14-11(3)18-15(21-14)16(5,6)7/h10,17H,1-8H3
InChIKeyCTKVZZYYKZORQQ-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.27
Rot. Bonds3

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43768916) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43768916
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H26N4S/c1-9-13(12(4)20(8)19-9)17-10(2)14-11(3)18-15(21-14)16(5,6)7/h10,17H,1-8H3
InChIKeyCTKVZZYYKZORQQ-UHFFFAOYSA-N
XLogP4.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72114659
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 56707302
1,3,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
CID 28781458
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204562
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534767
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine
CID 43543301
3,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 43547138
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547142
[3,5-Dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 43647514
1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 43647650
N-[[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647766

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine (CID 43768916) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nc(C(C)(C)C)sc1C(C)Nc1c(C)nn(C)c1C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is CTKVZZYYKZORQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-9-13(12(4)20(8)19-9)17-10(2)14-11(3)18-15(21-14)16(5,6)7/h10,17H,1-8H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 306.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).