N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide

C13H20N2OS — CID 71046225

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide
SMILESCc1c(C(C)(C)C)s/c(=N\C=O)n1CC1CC1
InChIInChI=1S/C13H20N2OS/c1-9-11(13(2,3)4)17-12(14-8-16)15(9)7-10-5-6-10/h8,10H,5-7H2,1-4H3/b14-12-
InChIKeyJZNSSSYHQXYFKM-OWBHPGMISA-N
MW252.38 g/mol
LogP2.62
Rot. Bonds3

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide (PubChem CID 71046225) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide
PubChem CID71046225
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide
SMILESCc1c(C(C)(C)C)s/c(=N\C=O)n1CC1CC1
InChIInChI=1S/C13H20N2OS/c1-9-11(13(2,3)4)17-12(14-8-16)15(9)7-10-5-6-10/h8,10H,5-7H2,1-4H3/b14-12-
InChIKeyJZNSSSYHQXYFKM-OWBHPGMISA-N
XLogP2.62
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide (CID 71046225) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide is Cc1c(C(C)(C)C)s/c(=N\C=O)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide?
The InChIKey is JZNSSSYHQXYFKM-OWBHPGMISA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-11(13(2,3)4)17-12(14-8-16)15(9)7-10-5-6-10/h8,10H,5-7H2,1-4H3/b14-12-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide has a molecular weight of 252.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]formamide is sourced from PubChem (CID 71046225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).