N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C14H21N3S2 — CID 82434613

IUPACN-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CC(C)C)nc2C(C)C)cs1
InChIInChI=1S/C14H21N3S2/c1-8(2)6-11-17-12(9(3)4)13(19-11)10-7-18-14(15-5)16-10/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyGAGZUDIQMBFCRR-UHFFFAOYSA-N
MW295.48 g/mol
LogP4.63
Rot. Bonds5

About N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82434613) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82434613
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CC(C)C)nc2C(C)C)cs1
InChIInChI=1S/C14H21N3S2/c1-8(2)6-11-17-12(9(3)4)13(19-11)10-7-18-14(15-5)16-10/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyGAGZUDIQMBFCRR-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869
4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82435110
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433618
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363
N,N-dimethyl-4-propan-2-yl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82435562

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82434613) is N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2sc(CC(C)C)nc2C(C)C)cs1.
What is the InChIKey of N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is GAGZUDIQMBFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-8(2)6-11-17-12(9(3)4)13(19-11)10-7-18-14(15-5)16-10/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 295.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82434613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).