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

C17H30N2S — CID 107004791

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)C1CC1(C)C
InChIInChI=1S/C17H30N2S/c1-7-8-18-13(12-10-17(12,5)6)9-15-19-14(11-20-15)16(2,3)4/h11-13,18H,7-10H2,1-6H3
InChIKeyNFHKDZFHBXSBFY-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.40
Rot. Bonds6

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

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 107004791) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
PubChem CID107004791
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)C1CC1(C)C
InChIInChI=1S/C17H30N2S/c1-7-8-18-13(12-10-17(12,5)6)9-15-19-14(11-20-15)16(2,3)4/h11-13,18H,7-10H2,1-6H3
InChIKeyNFHKDZFHBXSBFY-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
(3R*,4S*)-4-cyclopropyl-1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-3-pyrrolidinamine
CID 72846255
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 79819740
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 79819817
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 79819892
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952751
1-(4-Tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79954242
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959276
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609538

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine (CID 107004791) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1nc(C(C)(C)C)cs1)C1CC1(C)C.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is NFHKDZFHBXSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-7-8-18-13(12-10-17(12,5)6)9-15-19-14(11-20-15)16(2,3)4/h11-13,18H,7-10H2,1-6H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 107004791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).