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

C10H19N3S — CID 46785713

IUPACN,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNC(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)11-6-9-8(3)12-10(14-9)13(4)5/h7,11H,6H2,1-5H3
InChIKeyBQJGLHRPTVXNLX-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.02
Rot. Bonds4

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

N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 46785713) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID46785713
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNC(C)C
InChIInChI=1S/C10H19N3S/c1-7(2)11-6-9-8(3)12-10(14-9)13(4)5/h7,11H,6H2,1-5H3
InChIKeyBQJGLHRPTVXNLX-UHFFFAOYSA-N
XLogP2.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 46785713) is N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1CNC(C)C.
What is the InChIKey of N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is BQJGLHRPTVXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)11-6-9-8(3)12-10(14-9)13(4)5/h7,11H,6H2,1-5H3.
What are the key properties of N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 46785713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).