N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine

C16H22N2S2 — CID 61345604

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(C(NC2CC2)c2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C16H22N2S2/c1-10-5-8-12(20-10)14(17-11-6-7-11)15-18-13(9-19-15)16(2,3)4/h5,8-9,11,14,17H,6-7H2,1-4H3
InChIKeyWULVAUJFCUBLRE-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.65
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 61345604) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID61345604
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(C(NC2CC2)c2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C16H22N2S2/c1-10-5-8-12(20-10)14(17-11-6-7-11)15-18-13(9-19-15)16(2,3)4/h5,8-9,11,14,17H,6-7H2,1-4H3
InChIKeyWULVAUJFCUBLRE-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 61345199
N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61346227
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
CID 61335853
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutyl]cyclopropanamine
CID 61334687
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
CID 106676115
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
CID 107133309
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine (CID 61345604) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccc(C(NC2CC2)c2nc(C(C)(C)C)cs2)s1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is WULVAUJFCUBLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-10-5-8-12(20-10)14(17-11-6-7-11)15-18-13(9-19-15)16(2,3)4/h5,8-9,11,14,17H,6-7H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 306.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61345604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).